A comparative crystallochemical analysis of binary compounds and simple anhydrous salts containing pyramidal anions LO3 (L = S, Se, Te, Cl, Br, I) [0.03%]
含洛3(pyramidal anion)的二元化合物及简单无水盐的晶体化学比较分析(L=S，Se，Te，Cl，Br，I)
V A Blatov,M V Peskov
V A Blatov
A comparative analysis of binary compounds and 61 simple anhydrous salts M(y)(LO(3))(z) (L = S, Se, Te, Cl, Br, I) was performed using the crystallochemical program package TOPOS. A topological similarity was found between the salts and six...
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 [0.03%]
矿物的结构复杂性：聚宝矿((Ag,Cu)₁₆(Sb,As)₂S₁₁)晶体结构中的双晶、多型和无序现象
Michel Evain,Luca Bindi,Silvio Menchetti
Michel Evain
The crystal structures of 222- and 221-polybasite [(Ag,Cu)(16)(Sb,As)(2)S(11)] crystals have been solved and refined by means of X-ray diffraction data (collected at 100 and 120 K, respectively) from twinned crystals. Both structures consis...
Na2Si3O7: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal [0.03%]
斜硅钠石(Na2Si3O7)：由孪晶晶体精修得到的非调合结构及其crenel型调制函数
Hannes Krüger,Volker Kahlenberg,Karen Friese
Hannes Krüger
The structure of metastable, incommensurately modulated Na(2)Si(3)O(7) has been determined from single-crystal X-ray diffraction data. In contrast to previous investigations which stated that the compound crystallizes in an orthorhombic spa...
Estimation of polyhedral compressibilities and structural evolution of GdFeO3-type perovskites at high pressures [0.03%]
高压下GdFeO3型钙钛矿的多面体可压缩性和结构演化估算
J Zhao,N L Ross,R J Angel
J Zhao
A new approach based on the bond-valence matching relation is developed to predict the detailed structural evolution of GdFeO(3)-type perovskites at high pressure from knowledge of the room-pressure structure and the high-pressure unit-cell...
Compressibility of the nitridosilicate SrYb[Si4N7] and the oxonitridoaluminosilicates MYb[Si4-xAlxOxN7-x] (x = 2; M = Sr, Ba) [0.03%]
氮硅酸盐SrYb[Si4N7]和氧氮代铝硅酸盐MYb[Si4-xAlxOxN7-x](x=2;M=Sr，Ba)的可压缩性
E A Juarez-Arellano,A Friedrich,K Knorr et al.
E A Juarez-Arellano et al.
The compressibilities of the nitridosilicate SrYb[Si(4)N(7)] and the oxonitridoaluminosilicates MYb[Si(4-x)Al(x)O(x)N(7-x)] (x = 2; M = Sr, Ba) were investigated by in situ high-pressure X-ray powder diffraction. Pressures up to 42 GPa were...
Experimental versus expected halide-ion size differences; structural changes in three series of isotypic bismuth chalcogenide halides [0.03%]
实验与预期的卤离子尺寸差异；三种同构铋硫属卤化物的结构变化
Egbert Keller,Volker Krämer
Egbert Keller
Experimentally determined halide-ion size differences are compared with expected size differences in the three series of isotypic bismuth chalcogenide halide compounds, KBi(6)O(9)X (X = Cl, Br and I), BiOX (X = F, Cl, Br and I) and BiSX (X ...
"Ionic" size differences from bond-valence parameters and from ionic radii [0.03%]
基于价键参数和离子半径的离子尺寸差异
Egbert Keller,Volker Krämer
Egbert Keller
Expectation values for size differences between pairs of "ions" (atoms in oxidation states =/= 0) embedded into similar coordination environments are calculated from tables of bond-valence parameters and ionic radii.
Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS [0.03%]
基于SPuDS的有序和无序多阳离子钙钛矿结构预测
Michael W Lufaso,Paris W Barnes,Patrick M Woodward
Michael W Lufaso
The software package SPuDS has previously been shown to accurately predict crystal structures of AMX(3) and A(1 - x)A'(x)MX(3) perovskites that have undergone octahedral tilting distortions. This paper describes the extension of this techni...
Structure determination of A2M3+TaO6 and A2M3+NbO6 ordered perovskites: octahedral tilting and pseudosymmetry [0.03%]
A2M3+TaO6和A2M3+NbO6有序钙钛矿型结构的确定：八面体倾斜与假对称性
Paris W Barnes,Michael W Lufaso,Patrick M Woodward
Paris W Barnes
The room-temperature crystal structures of six A(2)M(3+)M(5+)O(6) ordered perovskites have been determined from neutron and X-ray powder diffraction data. Ba(2)YNbO(6) adopts the aristotype high-symmetry cubic structure (space group Fm/over...
On the mechanism of some first-order enantiotropic solid-state phase transitions: from Simon through Ubbelohde to Mnyukh [0.03%]
论某些固态对映异构相变的第一级转变机制：从西蒙到乌贝洛德再到姆纽赫
Frank H Herbstein
Frank H Herbstein
The first (so-called) lambda transition in solids was found in the specific heat measurements for NH(4)Cl at 242 K by F. Simon in 1922 [Simon (1922). Ann. Phys. 68, 241-280]. Analogous phenomena found in many other solids gave rise to doubt...